3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one

C13H22N4O — CID 130267766

IUPAC3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCc1cc(N)c(=O)n(CCN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-12(14)13(18)17(10-11)8-7-16-5-3-15(2)4-6-16/h9-10H,3-8,14H2,1-2H3
InChIKeyCXSWCQNXRYOEJV-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.01
Rot. Bonds3

About 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one

3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one (PubChem CID 130267766) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one
PubChem CID130267766
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCc1cc(N)c(=O)n(CCN2CCN(C)CC2)c1
InChIInChI=1S/C13H22N4O/c1-11-9-12(14)13(18)17(10-11)8-7-16-5-3-15(2)4-6-16/h9-10H,3-8,14H2,1-2H3
InChIKeyCXSWCQNXRYOEJV-UHFFFAOYSA-N
XLogP-0.01
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one (CID 130267766) is 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one is Cc1cc(N)c(=O)n(CCN2CCN(C)CC2)c1.
What is the InChIKey of 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The InChIKey is CXSWCQNXRYOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-9-12(14)13(18)17(10-11)8-7-16-5-3-15(2)4-6-16/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one?
3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one has a molecular weight of 250.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 130267766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).